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L-Valine, N-(4-fluorobenzoyl)-, methyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

L-Valine, N-(4-fluorobenzoyl)-, methyl ester
SpectraBase Compound ID IHDIibzYBnx
InChI InChI=1S/C13H16FNO3/c1-8(2)11(13(17)18-3)15-12(16)9-4-6-10(14)7-5-9/h4-8,11H,1-3H3,(H,15,16)
InChIKey JGANSNPTJWFOGK-UHFFFAOYSA-N
Mol Weight 253.27 g/mol
Molecular Formula C13H16FNO3
Exact Mass 253.111422 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4WQed3BqR3s
Name L-Valine, N-(4-fluorobenzoyl)-, methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 253.111421539 u
Formula C13H16FNO3
InChI InChI=1S/C13H16FNO3/c1-8(2)11(13(17)18-3)15-12(16)9-4-6-10(14)7-5-9/h4-8,11H,1-3H3,(H,15,16)
InChIKey JGANSNPTJWFOGK-UHFFFAOYSA-N
Molecular Weight 253.273 g/mol
SMILES C(C)(C(C(OC)=O)NC(=O)C1=CC=C(C=C1)F)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.874474